REMARK  Name = BDB033049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.209  -0.903  -1.642  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.971   0.157  -0.846  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.321  -0.554   0.364  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.392  -1.919   0.155  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        1.788  -2.761   0.944  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.920  -2.200  -1.252  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.088  -0.024  -1.793  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1       -1.206  -0.941  -1.259  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -1.423  -1.388  -0.378  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -1.823   0.690  -2.754  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -3.690   0.127   0.177  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -3.444   0.031  -1.198  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -4.528  -0.003  -2.087  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -5.839   0.034  -1.605  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.079   0.122  -0.234  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.008   0.178   0.659  0.00  0.00    +0.016 A 
BRANCH  11  18
ATOM     17  O   LIG    1       -1.728   1.107   1.091  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1       -2.589   0.250   1.145  0.00  0.00    +0.338 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.612  -0.743   2.058  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -3.351  -1.378   1.983  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  11  18
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        1.808   0.120   1.549  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.200   0.670   1.355  0.00  0.00    -0.029 A 
ATOM     23  C   LIG    1        4.311  -0.188   1.381  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        5.603   0.311   1.180  0.00  0.00    +0.060 A 
ATOM     25 CL   LIG    1        6.916  -0.811   1.226  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        5.792   1.677   0.947  0.00  0.00    +0.059 A 
ATOM     27 CL   LIG    1        7.355   2.366   0.688  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        4.690   2.536   0.915  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        3.401   2.036   1.115  0.00  0.00    +0.007 A 
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6